# generated using pymatgen data_Ce2Si2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87153241 _cell_length_b 6.87153241 _cell_length_c 24.94392174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Si2O7 _chemical_formula_sum 'Ce16 Si16 O56' _cell_volume 1177.80104064 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.77196221 0.88378725 0.89159404 1.0 Ce Ce1 1 0.82875914 0.51780045 0.39878618 1.0 Ce Ce2 1 0.76752486 0.29813436 0.00099030 1.0 Ce Ce3 1 0.48219955 0.82875914 0.64878618 1.0 Ce Ce4 1 0.23247514 0.70186564 0.50099030 1.0 Ce Ce5 1 0.51780045 0.17124086 0.14878618 1.0 Ce Ce6 1 0.91608030 0.66192412 0.75191644 1.0 Ce Ce7 1 0.70186564 0.76752486 0.25099030 1.0 Ce Ce8 1 0.08391970 0.33807588 0.25191644 1.0 Ce Ce9 1 0.33807588 0.91608030 0.00191644 1.0 Ce Ce10 1 0.29813436 0.23247514 0.75099030 1.0 Ce Ce11 1 0.11621275 0.77196221 0.14159404 1.0 Ce Ce12 1 0.17124086 0.48219955 0.89878618 1.0 Ce Ce13 1 0.22803779 0.11621275 0.39159404 1.0 Ce Ce14 1 0.88378725 0.22803779 0.64159404 1.0 Ce Ce15 1 0.66192412 0.08391970 0.50191644 1.0 Si Si16 1 0.59392122 0.69864521 0.11467860 1.0 Si Si17 1 0.40607878 0.30135479 0.61467860 1.0 Si Si18 1 0.26166358 0.37704738 0.02172359 1.0 Si Si19 1 0.14858499 0.23332073 0.51672953 1.0 Si Si20 1 0.76667927 0.14858499 0.76672953 1.0 Si Si21 1 0.70305524 0.01024636 0.37208752 1.0 Si Si22 1 0.98975364 0.70305524 0.62208752 1.0 Si Si23 1 0.85141501 0.76667927 0.01672953 1.0 Si Si24 1 0.62295262 0.26166358 0.27172359 1.0 Si Si25 1 0.29694476 0.98975364 0.87208752 1.0 Si Si26 1 0.69864521 0.40607878 0.86467860 1.0 Si Si27 1 0.30135479 0.59392122 0.36467860 1.0 Si Si28 1 0.73833642 0.62295262 0.52172359 1.0 Si Si29 1 0.23332073 0.85141501 0.26672953 1.0 Si Si30 1 0.01024636 0.29694476 0.12208752 1.0 Si Si31 1 0.37704738 0.73833642 0.77172359 1.0 O O32 1 0.18921804 0.78407303 0.59552105 1.0 O O33 1 0.84381216 0.95721114 0.79849581 1.0 O O34 1 0.88852679 0.61581698 0.96660721 1.0 O O35 1 0.95721114 0.15618784 0.54849581 1.0 O O36 1 0.87397513 0.75520439 0.48102854 1.0 O O37 1 0.28755090 0.36610320 0.55833743 1.0 O O38 1 0.51590367 0.51937095 0.89024941 1.0 O O39 1 0.46059264 0.02497724 0.91847646 1.0 O O40 1 0.32787554 0.57351125 0.99071484 1.0 O O41 1 0.24479561 0.87397513 0.73102854 1.0 O O42 1 0.71244910 0.63389680 0.05833743 1.0 O O43 1 0.15618784 0.04278886 0.29849581 1.0 O O44 1 0.44403497 0.23657945 0.03961864 1.0 O O45 1 0.42905959 0.87644048 0.82469517 1.0 O O46 1 0.15230460 0.13091734 0.14850666 1.0 O O47 1 0.76342055 0.44403497 0.28961864 1.0 O O48 1 0.27464172 0.05241739 0.49201887 1.0 O O49 1 0.81078196 0.21592697 0.09552105 1.0 O O50 1 0.78407303 0.81078196 0.34552105 1.0 O O51 1 0.74857168 0.81167694 0.15418732 1.0 O O52 1 0.72535828 0.94758261 0.99201887 1.0 O O53 1 0.05241739 0.72535828 0.24201887 1.0 O O54 1 0.55596503 0.76342055 0.53961864 1.0 O O55 1 0.94758261 0.27464172 0.74201887 1.0 O O56 1 0.81167694 0.25142832 0.90418732 1.0 O O57 1 0.57094041 0.12355952 0.32469517 1.0 O O58 1 0.57351125 0.67212446 0.74071484 1.0 O O59 1 0.86406585 0.56983264 0.84623637 1.0 O O60 1 0.13593415 0.43016736 0.34623637 1.0 O O61 1 0.84769540 0.86908266 0.64850666 1.0 O O62 1 0.38418302 0.88852679 0.21660721 1.0 O O63 1 0.23657945 0.55596503 0.78961864 1.0 O O64 1 0.12602487 0.24479561 0.98102854 1.0 O O65 1 0.51937095 0.48409633 0.64024941 1.0 O O66 1 0.63389680 0.28755090 0.80833743 1.0 O O67 1 0.21592697 0.18921804 0.84552105 1.0 O O68 1 0.04278886 0.84381216 0.04849581 1.0 O O69 1 0.67212446 0.42648875 0.49071484 1.0 O O70 1 0.56983264 0.13593415 0.59623637 1.0 O O71 1 0.36610320 0.71244910 0.30833743 1.0 O O72 1 0.42648875 0.32787554 0.24071484 1.0 O O73 1 0.86908266 0.15230460 0.39850666 1.0 O O74 1 0.87644048 0.57094041 0.57469517 1.0 O O75 1 0.43016736 0.86406585 0.09623637 1.0 O O76 1 0.25142832 0.18832306 0.65418732 1.0 O O77 1 0.18832306 0.74857168 0.40418732 1.0 O O78 1 0.02497724 0.53940736 0.66847646 1.0 O O79 1 0.53940736 0.97502276 0.41847646 1.0 O O80 1 0.48062905 0.51590367 0.14024941 1.0 O O81 1 0.12355952 0.42905959 0.07469517 1.0 O O82 1 0.13091734 0.84769540 0.89850666 1.0 O O83 1 0.11147321 0.38418302 0.46660721 1.0 O O84 1 0.97502276 0.46059264 0.16847646 1.0 O O85 1 0.75520439 0.12602487 0.23102854 1.0 O O86 1 0.48409633 0.48062905 0.39024941 1.0 O O87 1 0.61581698 0.11147321 0.71660721 1.0